4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one

C13H13F3N2O — CID 115097432

IUPAC4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
SMILESCN1c2ccc(C(F)(F)F)cc2NC(=O)C12CCC2
InChIInChI=1S/C13H13F3N2O/c1-18-10-4-3-8(13(14,15)16)7-9(10)17-11(19)12(18)5-2-6-12/h3-4,7H,2,5-6H2,1H3,(H,17,19)
InChIKeyGHGOGSNWDPMIQN-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.02
Rot. Bonds

About 4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one

4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one (PubChem CID 115097432) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
PubChem CID115097432
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
SMILESCN1c2ccc(C(F)(F)F)cc2NC(=O)C12CCC2
InChIInChI=1S/C13H13F3N2O/c1-18-10-4-3-8(13(14,15)16)7-9(10)17-11(19)12(18)5-2-6-12/h3-4,7H,2,5-6H2,1H3,(H,17,19)
InChIKeyGHGOGSNWDPMIQN-UHFFFAOYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propyl-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
CID 79679365
1-methyl-7-(trifluoromethyl)-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84631098
6-(trifluoromethyl)spiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one
CID 115097759
7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097791
3-methyl-4-propan-2-yl-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
CID 115095615
8-(trifluoromethyl)spiro[2,5-dihydro-1,5-benzothiazepine-3,1'-cyclohexane]-4-one
CID 115099873
5-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 115098556
7-(trifluoromethyl)spiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one
CID 115099119
6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one
CID 125421520
2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
CID 83397527
3-cyclopropyl-3-methyl-7-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one
CID 115502336
3,3-diethyl-7-(trifluoromethyl)-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115502358

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
The IUPAC name of 4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one (CID 115097432) is 4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
The canonical SMILES for 4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one is CN1c2ccc(C(F)(F)F)cc2NC(=O)C12CCC2.
What is the InChIKey of 4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
The InChIKey is GHGOGSNWDPMIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-18-10-4-3-8(13(14,15)16)7-9(10)17-11(19)12(18)5-2-6-12/h3-4,7H,2,5-6H2,1H3,(H,17,19).
What are the key properties of 4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one has a molecular weight of 270.25 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 115097432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).